0 mol 7 unq 0 iso 0 dist 8.72114 9.67164 5.5683 11.8172 6.02702 10.2465 10.515 9.97624 8.81608 15.9584 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99972 5.99459 6.12483 5.13353 9.68006 10.1349 6.06176 10.6471 8.81608 9.37101 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 11.7498 7.48342 9.84471 6.67334 6.50647 9.51568 6.29685 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.16347 9.48085 9.62058 10.9391 7.45383 9.49421 12.1492 10.7875 8.53931 4.70708 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 7.45383 9.49421 9.62058 10.9391 6.16347 9.48085 4.70708 10.7875 8.53931 12.1492 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 7.92503 9.48085 10.2758 10.6808 8.6653 17.8732 12.1492 16.6259 8.53931 22.2591 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 8.62608 4.74544 6.9103 11.7069 6.04903 9.1062 5.49555 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 8.62608 7.56205 9.69044 5.49555 6.04903 9.1062 11.7069 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 8.70415 6.0129 6.61111 10.0962 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 8.70415 6.0129 6.61111 11.2452 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 7.51619 5.78706 11.2061 12.0058 15.3281 4.44979 12.0313 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.23884 9.64383 12.82 11.4338 5.59328 14.7009 12.0058 15.3281 4.44979 17.9807 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.23884 9.64383 12.82 9.30161 7.5242 16.3626 12.0058 15.3281 4.44979 19.8845 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 4.47349 7.54889 3.92737 8.40073 6.7117 9.81956 10.0962 6.0129 4.44979 8.70415 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 10.0962 6.0129 4.44979 11.2452 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 10.0962 6.0129 6.61111 8.70415 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 10.0962 6.0129 6.61111 11.2452 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 5.65185 7.78931 3.92737 10.2427 6.7117 9.81956 11.2452 6.0129 4.44979 8.70415 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 11.2452 6.0129 4.44979 10.0962 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 11.2452 6.0129 6.61111 8.70415 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 11.2452 6.0129 6.61111 10.0962 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 6.35763 11.1099 6.13374 10.0197 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 7.36192 11.8717 9.08536 10.6679 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 10.0197 11.1099 6.13374 6.35763 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 10.6679 11.8717 9.08536 7.36192 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.00526 7.69991 11.2896 5.3585 8.55616 7.43401 6.69989 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 5.3585 8.55616 7.43401 6.74887 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 11.3271 7.69991 12.4385 6.74887 8.55616 6.44575 6.69989 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 9.94764 9.1998 11.5269 6.81259 6.23142 11.0808 6.74887 8.55616 6.44575 5.3585 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 9.94764 8.69531 6.93712 11.3271 7.69991 11.2896 6.74887 8.55616 7.43401 6.69989 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 6.74887 8.55616 7.43401 5.3585 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 10.0191 7.57812 14.4013 15.5674 18.5467 9.84652 15.7973 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 7.08526 5.85442 4.47425 6.96053 7.98231 10.3406 5.79468 8.71497 6.23661 11.6195 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 7.23534 5.59555 8.59762 4.62998 numMergedOcc 0
